1-[(4-chlorophenyl)methyl]-4-oxo-N-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C22H22ClF3N4O2 — CID 134794060

IUPAC1-[(4-chlorophenyl)methyl]-4-oxo-N-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)C(=O)NCN2Cc1ccc(Cl)cc1
InChIInChI=1S/C22H22ClF3N4O2/c23-17-5-1-15(2-6-17)13-30-14-27-19(31)21(30)9-11-29(12-10-21)20(32)28-18-7-3-16(4-8-18)22(24,25)26/h1-8H,9-14H2,(H,27,31)(H,28,32)
InChIKeyNOSQDYQYNJIQRA-UHFFFAOYSA-N
MW466.89 g/mol
LogP4.31
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-4-oxo-N-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide

1-[(4-chlorophenyl)methyl]-4-oxo-N-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 134794060) has the molecular formula C22H22ClF3N4O2 and a molecular weight of 466.89 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-oxo-N-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-oxo-N-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide
PubChem CID134794060
Molecular FormulaC22H22ClF3N4O2
Molecular Weight466.89 g/mol
Exact Mass466.14
IUPAC Name1-[(4-chlorophenyl)methyl]-4-oxo-N-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)C(=O)NCN2Cc1ccc(Cl)cc1
InChIInChI=1S/C22H22ClF3N4O2/c23-17-5-1-15(2-6-17)13-30-14-27-19(31)21(30)9-11-29(12-10-21)20(32)28-18-7-3-16(4-8-18)22(24,25)26/h1-8H,9-14H2,(H,27,31)(H,28,32)
InChIKeyNOSQDYQYNJIQRA-UHFFFAOYSA-N
XLogP4.31
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.89
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-acetyl-1-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 134794909
1-N'-(4-chlorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982590
3-[1-[(4-chlorophenyl)carbamoyl]-3-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanoic acid
CID 46883032
9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 71566458
N-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide
CID 38274940
(8aS)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 95974335
4-[(4-fluorophenyl)methoxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 71784917
4-[(2R)-2-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 98402858
4-(3-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 91319838
1-[(4-chlorophenyl)methyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113183765
4-[(2S)-2-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]-N-phenylpiperazine-1-carboxamide
CID 92771218
(2S)-2-benzyl-4-cyclopropyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]decane-8-carboxamide
CID 97478735

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-oxo-N-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-oxo-N-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 134794060) is 1-[(4-chlorophenyl)methyl]-4-oxo-N-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-oxo-N-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-oxo-N-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)C(=O)NCN2Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-oxo-N-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The InChIKey is NOSQDYQYNJIQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF3N4O2/c23-17-5-1-15(2-6-17)13-30-14-27-19(31)21(30)9-11-29(12-10-21)20(32)28-18-7-3-16(4-8-18)22(24,25)26/h1-8H,9-14H2,(H,27,31)(H,28,32).
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-oxo-N-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
1-[(4-chlorophenyl)methyl]-4-oxo-N-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 466.89 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-oxo-N-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 134794060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).